7PS2

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-29 and Beta-53 Fabs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97623
Spacegroup name	H 3 2
Unit cell lengths	213.397, 213.397, 226.792
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.330 - 2.990
R-factor	0.2348
Rwork	0.233
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bep
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.040
High resolution limit [Å]	2.990	2.990
Rmerge	0.293
Rpim	0.048	0.885
Number of reflections	40130	1951
<I/σ(I)>	8.5	0.3
Completeness [%]	99.9	98.5
Redundancy	38.4
CC(1/2)	0.998	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium chloride, 0.1 M BIS-TRIS pH 6.5 and 1.5 M Ammonium sulfate.